smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(C(=O)/C=C\c2cc(Cl)c([O-])cc2Cl)cs1	ZINC000759082051	1043198468	/nfs/dbraw/zinc/19/84/68/1043198468.db2.gz	BQHKSXUYFGVEGF-UPHRSURJSA-N	-2	0	343.187	4.355	20	30		EIEDRL
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H](C)CCCCC(=O)[O-]	ZINC000814689827	1048132787	/nfs/dbraw/zinc/13/27/87/1048132787.db2.gz	HTJWYAADYMQMNB-SNVBAGLBSA-N	-2	0	340.807	4.107	20	30		EIEDRL
CC(CCCCCCC(=O)[O-])N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814690170	1048133145	/nfs/dbraw/zinc/13/31/45/1048133145.db2.gz	WWPYZXNYXQVOMU-UHFFFAOYSA-N	-2	0	340.807	4.251	20	30		EIEDRL
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000794944859	1053818417	/nfs/dbraw/zinc/81/84/17/1053818417.db2.gz	IODSBIJRPYFHNY-HWKANZROSA-N	-2	0	330.767	4.257	20	30		EIEDRL
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727651043	1043257016	/nfs/dbraw/zinc/25/70/16/1043257016.db2.gz	ZSTXQTWTNZOXFA-UHFFFAOYSA-N	-2	0	339.178	4.233	20	30		EIEDRL
O=C([O-])c1cccc(C(=O)/C=C/c2cc(Cl)c([O-])cc2Cl)c1	ZINC000806558370	1047303351	/nfs/dbraw/zinc/30/33/51/1047303351.db2.gz	ATNWYCCOOUQTFP-SNAWJCMRSA-N	-2	0	337.158	4.293	20	30		EIEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cccc(-c3ccccn3)c2)c1	ZINC000747693087	1049020527	/nfs/dbraw/zinc/02/05/27/1049020527.db2.gz	MCYCMVRMYKKJHE-VQHVLOKHSA-N	-2	0	345.354	4.049	20	30		EIEDRL
N#Cc1cc(NC(=O)c2cccc(-c3ccccc3)c2[O-])c([O-])cc1F	ZINC001148869347	1049389849	/nfs/dbraw/zinc/38/98/49/1049389849.db2.gz	JCMMOJAIAKFBBF-UHFFFAOYSA-N	-2	0	348.333	4.028	20	30		EIEDRL
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727651046	1043258159	/nfs/dbraw/zinc/25/81/59/1043258159.db2.gz	ZWDSNKHIABTFKP-UHFFFAOYSA-N	-2	0	339.178	4.233	20	30		EIEDRL
O=C([O-])c1cccc(C(=O)/C=C\c2cc(Cl)c([O-])cc2Cl)c1	ZINC000806558369	1047303236	/nfs/dbraw/zinc/30/32/36/1047303236.db2.gz	ATNWYCCOOUQTFP-PLNGDYQASA-N	-2	0	337.158	4.293	20	30		EIEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2cccc(-c3ccccn3)c2)c1	ZINC000747693086	1049020072	/nfs/dbraw/zinc/02/00/72/1049020072.db2.gz	MCYCMVRMYKKJHE-CLFYSBASSA-N	-2	0	345.354	4.049	20	30		EIEDRL
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000794944870	1053818506	/nfs/dbraw/zinc/81/85/06/1053818506.db2.gz	IODSBIJRPYFHNY-HYXAFXHYSA-N	-2	0	330.767	4.257	20	30		EIEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2cccc(-c3cccnc3)c2)c1	ZINC000768491025	1045814582	/nfs/dbraw/zinc/81/45/82/1045814582.db2.gz	WWMSUICRNXULHC-VURMDHGXSA-N	-2	0	345.354	4.049	20	30		EIEDRL
O=C([O-])c1cccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)c1Cl	ZINC000787184953	1046938147	/nfs/dbraw/zinc/93/81/47/1046938147.db2.gz	WWBJTTCYIVLZSZ-GQCTYLIASA-N	-2	0	337.158	4.293	20	30		EIEDRL
O=C1c2ccc(O)cc2CC/C1=C/c1ccc(O)c(Br)c1	ZINC000206809236	1053844630	/nfs/dbraw/zinc/84/46/30/1053844630.db2.gz	YPBQGKCLCAADTM-GHXNOFRVSA-N	-2	0	345.192	4.073	20	30		EIEDRL
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814689826	1048133492	/nfs/dbraw/zinc/13/34/92/1048133492.db2.gz	HTJWYAADYMQMNB-JTQLQIEISA-N	-2	0	340.807	4.107	20	30		EIEDRL
CC(=NNc1ccccc1C(=O)[O-])c1ccc(Cl)c(Cl)c1[O-]	ZINC000727648783	1043258084	/nfs/dbraw/zinc/25/80/84/1043258084.db2.gz	QRLCVPXOTDYBPJ-UHFFFAOYSA-N	-2	0	339.178	4.233	20	30		EIEDRL
O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cccc(-c3cccnc3)c2)c1	ZINC000768491024	1045813876	/nfs/dbraw/zinc/81/38/76/1045813876.db2.gz	WWMSUICRNXULHC-SOFGYWHQSA-N	-2	0	345.354	4.049	20	30		EIEDRL
O=C([O-])c1cccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c1Cl	ZINC000787184959	1046938224	/nfs/dbraw/zinc/93/82/24/1046938224.db2.gz	WWBJTTCYIVLZSZ-XQRVVYSFSA-N	-2	0	337.158	4.293	20	30		EIEDRL